ChemSpider 2D Image | (2S)-2-(4-Bromophenyl)-1-(2-hydroxyphenyl)-5-methyl-2,3-dihydro-4(1H)-pyridinone | C18H16BrNO2

(2S)-2-(4-Bromophenyl)-1-(2-hydroxyphenyl)-5-methyl-2,3-dihydro-4(1H)-pyridinone

  • Molecular FormulaC18H16BrNO2
  • Average mass358.229 Da
  • Monoisotopic mass357.036438 Da
  • ChemSpider ID30658634

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2S)-2-(4-Bromophenyl)-1-(2-hydroxyphenyl)-5-methyl-2,3-dihydro-4(1H)-pyridinone [ACD/IUPAC Name]
(2S)-2-(4-Bromophényl)-1-(2-hydroxyphényl)-5-méthyl-2,3-dihydro-4(1H)-pyridinone [French] [ACD/IUPAC Name]
(2S)-2-(4-Bromphenyl)-1-(2-hydroxyphenyl)-5-methyl-2,3-dihydro-4(1H)-pyridinon [German] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-(4-bromophenyl)-2,3-dihydro-1-(2-hydroxyphenyl)-5-methyl-, (2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 479.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±3.0 kJ/mol
Flash Point: 243.5±28.7 °C
Index of Refraction: 1.641
Molar Refractivity: 89.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 534.54
ACD/KOC (pH 5.5): 3120.94
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 532.25
ACD/KOC (pH 7.4): 3107.58
Polar Surface Area: 41 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 248.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement